2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid

C8H13NO2 — CID 117266912

IUPAC2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid
SMILESC=C(C(=O)O)C1CCCN1C
InChIInChI=1S/C8H13NO2/c1-6(8(10)11)7-4-3-5-9(7)2/h7H,1,3-5H2,2H3,(H,10,11)
InChIKeyCZWYZBWLLYOJIX-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.72
Rot. Bonds2

About 2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid

2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid (PubChem CID 117266912) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid
PubChem CID117266912
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid
SMILESC=C(C(=O)O)C1CCCN1C
InChIInChI=1S/C8H13NO2/c1-6(8(10)11)7-4-3-5-9(7)2/h7H,1,3-5H2,2H3,(H,10,11)
InChIKeyCZWYZBWLLYOJIX-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid?
The IUPAC name of 2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid (CID 117266912) is 2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid.
What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid?
The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid is C=C(C(=O)O)C1CCCN1C.
What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid?
The InChIKey is CZWYZBWLLYOJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(8(10)11)7-4-3-5-9(7)2/h7H,1,3-5H2,2H3,(H,10,11).
What are the key properties of 2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid?
2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid has a molecular weight of 155.20 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-2-yl)prop-2-enoic acid is sourced from PubChem (CID 117266912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).